methyl 6-[tert-butyl(diphenyl)silyl]oxynaphthalene-2-carboxylate

C28H28O3Si — CID 14645565

IUPACmethyl 6-[tert-butyl(diphenyl)silyl]oxynaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2cc(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)ccc2c1
InChIInChI=1S/C28H28O3Si/c1-28(2,3)32(25-11-7-5-8-12-25,26-13-9-6-10-14-26)31-24-18-17-21-19-23(27(29)30-4)16-15-22(21)20-24/h5-20H,1-4H3
InChIKeyAGDWPVJAFJBBIU-UHFFFAOYSA-N
MW440.62 g/mol
LogP5.57
Rot. Bonds5

About methyl 6-[tert-butyl(diphenyl)silyl]oxynaphthalene-2-carboxylate

methyl 6-[tert-butyl(diphenyl)silyl]oxynaphthalene-2-carboxylate (PubChem CID 14645565) has the molecular formula C28H28O3Si and a molecular weight of 440.62 g/mol. Its IUPAC name is methyl 6-[tert-butyl(diphenyl)silyl]oxynaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[tert-butyl(diphenyl)silyl]oxynaphthalene-2-carboxylate
PubChem CID14645565
Molecular FormulaC28H28O3Si
Molecular Weight440.62 g/mol
Exact Mass440.18
IUPAC Namemethyl 6-[tert-butyl(diphenyl)silyl]oxynaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2cc(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)ccc2c1
InChIInChI=1S/C28H28O3Si/c1-28(2,3)32(25-11-7-5-8-12-25,26-13-9-6-10-14-26)31-24-18-17-21-19-23(27(29)30-4)16-15-22(21)20-24/h5-20H,1-4H3
InChIKeyAGDWPVJAFJBBIU-UHFFFAOYSA-N
XLogP5.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.62
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

ethane;methyl naphthalene-2-carboxylate
CID 143895262
N-[7-[tert-butyl(diphenyl)silyl]oxynaphthalen-1-yl]-N-chloroacetamide
CID 18536143
anisole;methyl 4-methoxybenzoate
CID 158093995
methyl 5-[tert-butyl(diphenyl)silyl]oxy-3-methoxynaphthalene-2-carboxylate
CID 140692804
methyl 5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxynaphthalene-2-carboxylate
CID 123544517
methyl (4S,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-(dimethylamino)cyclopentene-1-carboxylate
CID 23256423
methyl 5-[5-[tert-butyl(diphenyl)silyl]oxybenzimidazol-1-yl]-3-hydroxythiophene-2-carboxylate
CID 58622920
1-(6-methoxynaphthalen-2-yl)-3-phenylpropane-1,3-dione
CID 102495157
ethane;3-methoxycarbonylbenzoic acid;7-methoxycarbonylnaphthalene-2-carboxylic acid
CID 144908401
6-methoxycarbonylnaphthalene-2-carboxylate
CID 3934911
methyl 4-[tert-butyl(dimethyl)silyl]oxy-3-phenoxybenzoate
CID 10760874
[6-(2-adamantylidenemethoxymethyl)naphthalen-2-yl]oxy-tert-butyl-diphenylsilane
CID 22163045

Frequently Asked Questions

What is the IUPAC name of methyl 6-[tert-butyl(diphenyl)silyl]oxynaphthalene-2-carboxylate?
The IUPAC name of methyl 6-[tert-butyl(diphenyl)silyl]oxynaphthalene-2-carboxylate (CID 14645565) is methyl 6-[tert-butyl(diphenyl)silyl]oxynaphthalene-2-carboxylate.
What is the SMILES notation for methyl 6-[tert-butyl(diphenyl)silyl]oxynaphthalene-2-carboxylate?
The canonical SMILES for methyl 6-[tert-butyl(diphenyl)silyl]oxynaphthalene-2-carboxylate is COC(=O)c1ccc2cc(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)ccc2c1.
What is the InChIKey of methyl 6-[tert-butyl(diphenyl)silyl]oxynaphthalene-2-carboxylate?
The InChIKey is AGDWPVJAFJBBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28O3Si/c1-28(2,3)32(25-11-7-5-8-12-25,26-13-9-6-10-14-26)31-24-18-17-21-19-23(27(29)30-4)16-15-22(21)20-24/h5-20H,1-4H3.
What are the key properties of methyl 6-[tert-butyl(diphenyl)silyl]oxynaphthalene-2-carboxylate?
methyl 6-[tert-butyl(diphenyl)silyl]oxynaphthalene-2-carboxylate has a molecular weight of 440.62 g/mol, XLogP of 5.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[tert-butyl(diphenyl)silyl]oxynaphthalene-2-carboxylate is sourced from PubChem (CID 14645565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).